Datasets:
AdrianM0
/
molbind

Dataset card Data Studio Files
xet
Community
1
smiles
stringlengths
7
778
[NH3+]C1CCC(NC(=O)CCCOc2ccc(Cl)cc2Cl)CC1
COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(C(F)(F)F)cc(c3ccc(OC)c(OC)c3)n2)c1
Cc1cc(C(=O)N(Cc2ccccn2)C(C)C)ccc1F
CCC[NH2+]C(COCC)Cc1cc(Cl)ccc1OC
C[NH+]1C2CCC1CN(C(=O)CCC[NH2+]Cc1ccccc1)CC2
O=c1cc(C=Cc2ccccc2Br)[nH]c2ccccc12
O=C1c2cccc([O-])c2C(=O)N1C1CC[NH+](CCC(c2ccccc2)c2ccccc2)CC1
O=C(c1ccc(Cl)cc1F)c1cc(Cl)sc1Cl
Cc1ccc(S(=O)(=O)Oc2ccc(C3(C)CC(C)(C)NC(=S)N3)c(OS(=O)(=O)c3ccc(C)cc3)c2)cc1
COc1ccc(CCC[SiH](C(C)C)C(C)C)cc1
COc1ccc(NC(=O)c2ccc(c3nc4ccc(C)cc4[nH]3)cc2)cc1Cl
CC1CC(OC(=O)CC([NH3+])CC(C)(C)C)CC(C)(C)C1
COC(=O)Cc1sc2ccc(N)cc2c1I
O=C(C[NH+]1CCN(Cc2nc(=O)c3ccc(Cl)cc3[nH]2)CC1)Nc1ccc(OC(F)(F)F)cc1
CCNC(=O)C1N(Cl)CC(F)(F)C1(C)C
CCOc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC
O=C(Cc1ccc(F)cc1)NCCc1cncs1
CC[NH+](CC(=O)Nc1ccc(OC)cc1)C(C(=O)NC(N)=O)c1ccccc1
Cc1cccc(C)c1C([NH3+])Cc1cccnc1
CC(C)C(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)Nc1cc(F)ccc1F
CCC(C)NC(=O)C(C)NC(=O)C(CC)OC1CCCC1
CC1(C)CC(Cn2cc(C=CC(=O)[O-])cn2)C1
CNC(=O)c1noc(c2cc(C)ccc2N)n1
Clc1cccc(Cl)c1C1=[NH+]OC23CCCCC2c2ccccc2N13
O=C(OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCN(c2ncccn2)CC1
O=C([O-])CC(C(=O)[O-])S(=O)(=O)CS(=O)[O-]
O=C(c1ccc(NC(=O)C23CC4CC(CC(Br)(C4)C2)C3)cc1)N1CCCC1
O=C([O-])c1cccc(COCCCC(F)(F)F)n1
COC(=O)C(Cl)c1nc(Br)sc1[N+](=O)[O-]
CC(Nc1ccc(S(N)(=O)=O)cc1N)c1ccsc1
COC(CNC(=O)C(=O)Nc1c2c(nn1c1ccccc1)CSC2)OC
COc1cc2c(cc1CNC(=O)CCC1NC(=O)NC1=O)CCC2
CSCCC(NC(N)=O)C(=O)NC(CC(=O)[O-])C(=O)[O-]
NC(=S)CCNC(=O)c1ccc(Br)cc1O
CC(CCC1C(C)(O)C=CCC1(C)C)O[Si](C)(C)C(C)(C)C
CCN(CC)C(=O)c1ccccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccc(C)cc3F)c2C)CC1)C(C)C
CS(=O)CCNC(=O)C(C)(C)CCl
CC1(O)Cc2cccc(N)c2C1
C=CCSc1nnc2c(n1)OC(c1ccc(OC)c3ccccc13)Nc1ccccc1-2
CCOC(=O)C1=C(C)NC(COCc2cc(=O)nc(c3ccccn3)[nH]2)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
O=C(NCC1CCCOC1)N1CCOC2(CCCC2)C1
CC(=O)OCCC1=C(OC(C)=O)CCC1
CCC(C)C(C[NH2+]CC(C)C)c1ccccc1C
CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCc1cccs1)cn2C
Cc1ccc(NC(=O)c2ccc(Cl)nn2)c(C)c1
CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)NC(Cc3ccccc3)c3ccccc3)c2)C(=O)CC1c1ccccc1
CCOc1ccc(N2CC(C(=O)OCC(=O)OC(C)(C)C)CC2=O)cc1
Cc1cc(C)c2nc(COc3ccc(C(C)C)cc3)[nH]c2c1
CCCCCCCCOCCOCCOCCOCCOCC
O=C(NC1CC[NH+](CC2CCOC2)CC1)c1cc(F)ccc1I
O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N1CCCC1c1cccc(F)c1
[NH3+]CCOC(=O)C=Cc1ccc2ccccc2n1
CCOC(=O)CNC(=O)N(CC)CC(=O)Nc1cc(C(C)(C)C)nn1c1cccc(C)c1
COc1ccccc1c1nc2c(s1)C(C)[NH2+]CC2
CN(C)C(=O)C(C)(C)C(C#N)(c1ccccc1)c1ccccc1
CN(CC(F)F)C(=O)CCCCC[NH3+]
Nc1ncnc2c1c(CCCCC(=O)CCCCC1SCC3NC(=O)NC31)cn2C1OC(C[NH+]2CC2)C(O)C1O
CCn1ncnc1CC(O)c1cccnc1OC
CC(C)NC(=O)COc1cccc(c2nc(Nc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)c3ccccc3n2)c1
CCOc1nc(N)nc(N2CCc3ccc(F)cc32)n1
CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)c(Br)cc1O
CC1CCCCCC1Nc1ccc(N)c(OC(C)(C)C)n1
CN(C)C(=O)C1CC(C2CCOC2)CC[NH2+]1
CCCOc1cccc(NCC2(SC)CCCC2)c1N
CC(C(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1)c1ccccc1
CCc1noc(C)c1Cn1c(NCC(C)O)nc2ccccc21
COCC(NC(=O)NCC(O)c1ccccc1Cl)c1ccccc1
COc1cccc(C([NH3+])Cc2cccc(Cl)c2F)c1
C[NH2+]C(CCc1cnn(C)c1)c1cc2c(s1)CCC2
C=CCN(C)C(=S)C(C)C
COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(C)n1)CC3
NC(=O)C(Cl)c1ccc(SC(F)(F)F)cc1
CCC(C)n1ccc(NCc2ccnn2C(C)CC)n1
Nc1ncnc(N)c1N=Nc1ccc(Cl)cc1
O=C(Cn1cnc2c1CCCC2)NCC(O)c1ccsc1
COc1ccccc1C=CC(=O)N(C)Cc1nc(c2cccc(C)c2)no1
COc1c(F)ccc(F)c1c1nc(C2C[NH2+]CCN2C)no1
CC(C)=C(C)C[NH2+]Cc1ccccc1
O=C(c1ccc2c(c1)OCCO2)C1CC[NH+](Cc2nc3ccccc3s2)CC1
Cc1ccccc1SCC(O)c1cc2cc(F)ccc2o1
CCCCc1cc(=O)oc2cc(OC3CCCCC3=O)ccc12
COC(=O)CC1(CC(=O)OC(C)OCCOC(C)C)CCCCC1
CCCC(C)C([NH2+]C)c1ccc(Br)cc1F
CC1(C)CCC2(C)C(CCC3C4CC(F)C(=O)C4(C)CCC32)C1
CC(C)c1cc2c(N3CCN(C(=O)CCCOn4nnc5ccccc54)CC3)ncnc2s1
CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC(=O)OCC[NH+](CCO)CCO)CCC5(C)C4CCC3(C)C1C2C
C[NH2+]C(C)Cc1noc(C2C3C4CCC(C4)C23)n1
COc1ccc(NC(=O)CN(C)c2nc(C)nc3sc(C)c(C)c23)cc1
COC(C)C[NH2+]C1CCC(OC)C1
CCC(C)(CCCl)c1nnc(NC(=S)c2ccc(OC)cc2)s1
COc1ccc(n2[nH]c(C)c(C(C)=NCCSc3ccc(Cl)cc3)c2=O)cc1
CC(C)Cc1c(N)onc1c1cc(F)cc(Br)c1
c1cc(NCc2csnn2)cs1
CC1(C)Cc2cccc(c3nc(Cl)cc(Cl)n3)c2O1
CC(C)Oc1ncnc2ccc(N3CC[NH+](Cc4cnn5c4CCC5)CC3)cc12
CC(C)CC(NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)[O-]
CCCOc1ccc(C(CSCC(C)C)[NH2+]CC)cc1
O=C=NC1CCCCC1OCc1ccccc1
CCNC(NCC(O)c1ccc(Cl)s1)=[NH+]Cc1ccc(S(=O)(=O)NC)cc1
CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc(C)c(Cl)c3)n2)c1